CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00448361" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00448361
Family CFFBM18623 Serine/threonine-protein kinase mTOR and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform inhibitor SureCN56039 family
Superfamily CFSBM530 Serine/threonine-protein kinase mTOR and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Binder Superfamily 3
Class CFCCD321 Class 1134
External ID CHEMBL585397 External Source CHEMBL
PubChem CID 45488078 Functional Category Bioactive
Molecule Name SureCN55918
IUPAC Name 1-[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-(4-pyrrolidin-1-ylphenyl)urea
Synonyms AGN-PC-07CRR6;CHEBI:683306;1-[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-(4-pyrrolidin-1-ylphenyl)urea
InChi InChI=1S/C30H34N8O2/c1-2-38-29-26(17-31-38)28(37-18-24-13-14-25(19-37)40-24)34-27(35-29)20-5-7-21(8-6-20)32-30(39)33-22-9-11-23(12-10-22)36-15-3-4-16-36/h5-12,17,24-25H,2-4,13-16,18-19H2,1H3,(H2,32,33,39)
InChiKey WLTGGZJCDZMNBZ-UHFFFAOYSA-N
Formula C30H34N8O2 Molecular Weight 538.64
Cross Link CHEMBL585397
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

27759 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00448361'),None, txtsearch, CFAMM00448361|